4-Hydroxy-octadecanoic acid
Basic information
- CAS
2858-39-1- Standard SMILES
CCCCCCCCCCCCCCC(O)CCC(=O)O- InChIKey
VSRRGPPFTIJBJG-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Overview
DL-4-hydroxy stearic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 4-Hydroxy-octadecanoic acid
- IUPAC
- 4-hydroxyoctadecanoic acid
- English name
- Octadecanoic acid, 4-hydroxy-
- Molecular formula
- C18H36O3
- Molecular weight
- 300.47664
Names & synonyms
4-hydroxyoctadecanoic acid4-hydroxy-octadecanoic acidDL-4-hydroxy stearic acid2858-39-1Octadecanoic acid, 4-hydroxy-4-hydroxystearic acidSCHEMBL227414DTXSID30415249CHEBI:188005LMFA02000122
Database identifiers
- CAS
2858-39-1- PubChem CID
- 5282908
- DTXSID
DTXSID30415249- ChEBI
CHEBI:188005- Nikkaji
- J297.106B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Chemistry & industry
Additional notes
DefinitionChEBI: DL-4-hydroxy stearic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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